3-(3-Aminophenyl)prop-2-enoic acid
TL;DR: 3-(3-Aminophenyl)prop-2-enoic acid (CAS 1194826-85-1) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-aminophenyl)prop-2-enoic acid
Also Known As: m-Aminozimtsaure, m-Aminocinnamic acid, (2E)-3-(3-aminophenyl)acrylic acid, 3-(3-aminophenyl)acrylic acid, 3-(3-aminophenyl)prop-2-enoic acid
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.06332 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 Da |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
| SMILES | C1=CC(=CC(=C1)N)C=CC(=O)O |
| InChIKey | JNXMJSYJCFTLJB-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Aminophenyl)prop-2-enoic acid
Property Insights of 3-(3-Aminophenyl)prop-2-enoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Aminophenyl)prop-2-enoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Aminophenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(3-Aminophenyl)prop-2-enoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(3-Aminophenyl)prop-2-enoic acid?
The CAS number of 3-(3-Aminophenyl)prop-2-enoic acid is 1194826-85-1.
What is the molecular formula of 3-(3-Aminophenyl)prop-2-enoic acid?
The molecular formula of 3-(3-Aminophenyl)prop-2-enoic acid is C9H9NO2.
What is the molecular weight of 3-(3-Aminophenyl)prop-2-enoic acid?
The molecular weight of 3-(3-Aminophenyl)prop-2-enoic acid is 163.06332 g/mol.
Where can I buy 3-(3-Aminophenyl)prop-2-enoic acid?
You can request a quote for 3-(3-Aminophenyl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Aminophenyl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(3-Aminophenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.